1H-Tetrazole-1-acetic acid, 2,5-dihydro-5-thioxo-


Chemical Name: 1H-Tetrazole-1-acetic acid, 2,5-dihydro-5-thioxo-
CAS Number: 57658-36-3
Product Number: AG00IA9N(AGN-PC-0KO6WQ)
Synonyms:
MDL No:
Molecular Formula: C3H4N4O2S
Molecular Weight: 160.15446

Identification/Properties


Computed Properties
Molecular Weight:
160.151g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
160.005g/mol
Monoisotopic Mass:
160.005g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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